Banca de QUALIFICAÇÃO: VANESSA LIMA DO NASCIMENTO

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
STUDENT : VANESSA LIMA DO NASCIMENTO
DATE: 29/02/2024
TIME: 09:00
LOCAL: Google Meet
TITLE:

Computational Studies and Synthesis of New Michael Acceptors for Drug Discovery Against COVID-19.

KEY WORDS:

SARS-CoV-2; COVID-19; estratégia SBVS; Aceptores de Michael

PAGES: 90
BIG AREA: Ciências Exatas e da Terra
AREA: Química
SUMMARY:

The infection by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) initiates when the viral spike glycoprotein binds to angiotensin-converting enzyme 2 (ACE2) present on the membranes of human cells. This interaction is facilitated by the presence of the catalytic enzyme serine protease transmembrane 2 (TMPRSS2), which plays a crucial role in the virus's dissemination and pathogenicity. Studies have demonstrated that certain repurposed drugs can inhibit TMPRSS2, blocking the entry of SARS-CoV-2 into human host cells. However, these drugs exhibit adverse effects and a tendency to interact with various pharmacological targets, limiting their effectiveness in treating COVID-19. Thus, the aim of this study is to identify new compounds that act as Michael acceptors against TMPRSS2. To achieve this, virtual screening based on the receptor's structure (SBVS) and molecular dynamics studies were employed. The best screened molecules are undergoing chemical synthesis. Finally, these molecules are expected to be evaluated in biological assays against TMPRSS2 in the future.

COMMITTEE MEMBERS:
Interno(a) - 2089941 - DIMAS JOSE DA PAZ LIMA
Presidente - 1366289 - THIAGO MENDONCA DE AQUINO
Externo(a) à Instituição - Verônica Diniz da Silva